hydron;1-(2-methylpropyl)-2H-pyridine

C9H16N+ — CID 174641369

IUPAChydron;1-(2-methylpropyl)-2H-pyridine
SMILESCC(C)CN1C=CC=CC1.[H+]
InChIInChI=1S/C9H15N/c1-9(2)8-10-6-4-3-5-7-10/h3-6,9H,7-8H2,1-2H3/p+1
InChIKeyDAEPJLBNLHPAHA-UHFFFAOYSA-O
MW138.23 g/mol
LogP2.14
Rot. Bonds2

About hydron;1-(2-methylpropyl)-2H-pyridine

hydron;1-(2-methylpropyl)-2H-pyridine (PubChem CID 174641369) has the molecular formula C9H16N+ and a molecular weight of 138.23 g/mol. Its IUPAC name is hydron;1-(2-methylpropyl)-2H-pyridine.

Molecular Properties

Compound Namehydron;1-(2-methylpropyl)-2H-pyridine
PubChem CID174641369
Molecular FormulaC9H16N+
Molecular Weight138.23 g/mol
Exact Mass138.13
IUPAC Namehydron;1-(2-methylpropyl)-2H-pyridine
SMILESCC(C)CN1C=CC=CC1.[H+]
InChIInChI=1S/C9H15N/c1-9(2)8-10-6-4-3-5-7-10/h3-6,9H,7-8H2,1-2H3/p+1
InChIKeyDAEPJLBNLHPAHA-UHFFFAOYSA-O
XLogP2.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.23
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of hydron;1-(2-methylpropyl)-2H-pyridine?
The IUPAC name of hydron;1-(2-methylpropyl)-2H-pyridine (CID 174641369) is hydron;1-(2-methylpropyl)-2H-pyridine.
What is the SMILES notation for hydron;1-(2-methylpropyl)-2H-pyridine?
The canonical SMILES for hydron;1-(2-methylpropyl)-2H-pyridine is CC(C)CN1C=CC=CC1.[H+].
What is the InChIKey of hydron;1-(2-methylpropyl)-2H-pyridine?
The InChIKey is DAEPJLBNLHPAHA-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H15N/c1-9(2)8-10-6-4-3-5-7-10/h3-6,9H,7-8H2,1-2H3/p+1.
What are the key properties of hydron;1-(2-methylpropyl)-2H-pyridine?
hydron;1-(2-methylpropyl)-2H-pyridine has a molecular weight of 138.23 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1-(2-methylpropyl)-2H-pyridine is sourced from PubChem (CID 174641369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).